(2R)-1-[4-[[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]amino]methyl]piperidin-1-yl]propan-2-ol

C15H27N3OS — CID 95340517

IUPAC(2R)-1-[4-[[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]amino]methyl]piperidin-1-yl]propan-2-ol
SMILESCc1ncc(CN(C)CC2CCN(C[C@@H](C)O)CC2)s1
InChIInChI=1S/C15H27N3OS/c1-12(19)9-18-6-4-14(5-7-18)10-17(3)11-15-8-16-13(2)20-15/h8,12,14,19H,4-7,9-11H2,1-3H3/t12-/m1/s1
InChIKeyVULBFAVILJKSNK-GFCCVEGCSA-N
MW297.47 g/mol
LogP1.98
Rot. Bonds6

About (2R)-1-[4-[[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]amino]methyl]piperidin-1-yl]propan-2-ol

(2R)-1-[4-[[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]amino]methyl]piperidin-1-yl]propan-2-ol (PubChem CID 95340517) has the molecular formula C15H27N3OS and a molecular weight of 297.47 g/mol. Its IUPAC name is (2R)-1-[4-[[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]amino]methyl]piperidin-1-yl]propan-2-ol.

Molecular Properties

Compound Name(2R)-1-[4-[[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]amino]methyl]piperidin-1-yl]propan-2-ol
PubChem CID95340517
Molecular FormulaC15H27N3OS
Molecular Weight297.47 g/mol
Exact Mass297.19
IUPAC Name(2R)-1-[4-[[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]amino]methyl]piperidin-1-yl]propan-2-ol
SMILESCc1ncc(CN(C)CC2CCN(C[C@@H](C)O)CC2)s1
InChIInChI=1S/C15H27N3OS/c1-12(19)9-18-6-4-14(5-7-18)10-17(3)11-15-8-16-13(2)20-15/h8,12,14,19H,4-7,9-11H2,1-3H3/t12-/m1/s1
InChIKeyVULBFAVILJKSNK-GFCCVEGCSA-N
XLogP1.98
TPSA39.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.47
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2R)-1-[4-[[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]amino]methyl]piperidin-1-yl]propan-2-ol with MolForge

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Related Compounds

(2R)-1-[4-[[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl-methylamino]methyl]piperidin-1-yl]propan-2-ol
CID 95757646
(2R)-1-[4-[[(1-ethylimidazol-2-yl)methyl-methylamino]methyl]piperidin-1-yl]propan-2-ol
CID 95339517
(2S)-1-[4-[[methyl-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]amino]methyl]piperidin-1-yl]propan-2-ol
CID 95352032
1-[(1S)-cyclohex-3-en-1-yl]-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]methanamine
CID 129397890
1-[4-[[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl-methylamino]methyl]piperidin-1-yl]propan-2-ol
CID 86893871
N-methyl-1-[1-(2-methylpropyl)piperidin-4-yl]-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]methanamine
CID 134701294
4-[[[1-[(2S)-2-hydroxypropyl]piperidin-4-yl]methyl-methylamino]methyl]benzonitrile
CID 95313414
(2R)-1-[4-[[methyl(2-pyridin-4-ylethyl)amino]methyl]piperidin-1-yl]propan-2-ol
CID 95318062
3-[[[1-[(2R)-2-hydroxypropyl]piperidin-4-yl]methyl-methylamino]methyl]benzonitrile
CID 95344064
3-[[[1-[(2S)-2-hydroxypropyl]piperidin-4-yl]methyl-methylamino]methyl]benzonitrile
CID 95344063
1-[4-[[[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl-methylamino]methyl]piperidin-1-yl]propan-2-ol
CID 86895112
3-[[1-[(2S)-2-hydroxypropyl]piperidin-4-yl]methyl-methylamino]propanamide
CID 95314387

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[4-[[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]amino]methyl]piperidin-1-yl]propan-2-ol?
The IUPAC name of (2R)-1-[4-[[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]amino]methyl]piperidin-1-yl]propan-2-ol (CID 95340517) is (2R)-1-[4-[[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]amino]methyl]piperidin-1-yl]propan-2-ol.
What is the SMILES notation for (2R)-1-[4-[[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]amino]methyl]piperidin-1-yl]propan-2-ol?
The canonical SMILES for (2R)-1-[4-[[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]amino]methyl]piperidin-1-yl]propan-2-ol is Cc1ncc(CN(C)CC2CCN(C[C@@H](C)O)CC2)s1.
What is the InChIKey of (2R)-1-[4-[[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]amino]methyl]piperidin-1-yl]propan-2-ol?
The InChIKey is VULBFAVILJKSNK-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H27N3OS/c1-12(19)9-18-6-4-14(5-7-18)10-17(3)11-15-8-16-13(2)20-15/h8,12,14,19H,4-7,9-11H2,1-3H3/t12-/m1/s1.
What are the key properties of (2R)-1-[4-[[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]amino]methyl]piperidin-1-yl]propan-2-ol?
(2R)-1-[4-[[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]amino]methyl]piperidin-1-yl]propan-2-ol has a molecular weight of 297.47 g/mol, XLogP of 1.98, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[4-[[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]amino]methyl]piperidin-1-yl]propan-2-ol is sourced from PubChem (CID 95340517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).